SCHEMBL4537439

SCHEMBL4537439

Cc1ccccc1S(=O)(=O)N1CCCC(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.48
EPHX1 P07099 5/20 0.47
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
HSD11B1 P28845 2/20 0.41
CYP19A1 P11511 1/20 0.41
PSMB5 P28074 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CACNA1H O95180 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4539129 0.95 EPHX2 (0.52) EPHX2EPHX1CNR1CNR2HSD11B1
SCHEMBL4539947 0.89 EPHX2 (0.57) EPHX2EPHX1CNR1CNR2HSD11B1
SCHEMBL4539701 0.89 HDAC3 (0.47) EPHX2EPHX1HSD11B1PSMB5NPC1
SCHEMBL4540405 0.87 HSD11B1 (0.56) EPHX2EPHX1HSD11B1
SCHEMBL8062507 0.87 EPHX2 (0.53) EPHX2EPHX1
SCHEMBL4537427 0.86 SMN1; SMN2 (0.52) EPHX2EPHX1NPC1RAB9AKMT2A
SCHEMBL4536856 0.86 KMT2A (0.44) EPHX1PSMB5NPC1RAB9AKMT2A
SCHEMBL4537575 0.84 ALDH1A1 (0.49) EPHX2EPHX1RAB9AKMT2AGAA
SCHEMBL4541178 0.83 EPHX1 (0.50) EPHX2EPHX1HSD11B1PSMB5NPC1
SCHEMBL4535493 0.83 HDAC3 (0.52) EPHX2EPHX1HSD11B1PSMB5NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO claimed
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed